4-Benzylidene-2-(benzylthio)thiazol-5(4H)-one
TL;DR: 4-Benzylidene-2-(benzylthio)thiazol-5(4H)-one (CAS 41250-44-6) is a chemical compound with molecular formula C17H13NOS2 and molecular weight 311.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzylidene-2-benzylsulfanyl-1,3-thiazol-5-one
Also Known As: 4-Benzylidene-2-(benzylthio)thiazol-5(4H)-one, 4-benzylidene-2-benzylsulfanyl-1,3-thiazol-5-one, 4-benzylidene-2-(benzylsulfanyl)-1,3-thiazol-5(4h)-one
| Molecular Formula | C17H13NOS2 |
|---|---|
| Molecular Weight | 311.04 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.04385 |
| Heavy Atoms | 21 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 41250-44-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC(=CC3=CC=CC=C3)C(=O)S2 |
| InChIKey | FQXGNUDWMBVDCC-UHFFFAOYSA-N |
Product Overview
4-Benzylidene-2-(benzylthio)thiazol-5(4H)-one (CAS 41250-44-6), with molecular formula C17H13NOS2 and molecular weight 311.04 g/mol. IUPAC: 4-benzylidene-2-benzylsulfanyl-1,3-thiazol-5-one.
Chemical Property Profile of 4-Benzylidene-2-(benzylthio)thiazol-5(4H)-one
Property Insights of 4-Benzylidene-2-(benzylthio)thiazol-5(4H)-one
The XLogP value of 4.9 indicates that 4-Benzylidene-2-(benzylthio)thiazol-5(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Benzylidene-2-(benzylthio)thiazol-5(4H)-one. Following Lipinski's Rule of Five, 4-Benzylidene-2-(benzylthio)thiazol-5(4H)-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Benzylidene-2-(benzylthio)thiazol-5(4H)-one?
The CAS number of 4-Benzylidene-2-(benzylthio)thiazol-5(4H)-one is 41250-44-6.
What is the molecular formula of 4-Benzylidene-2-(benzylthio)thiazol-5(4H)-one?
The molecular formula of 4-Benzylidene-2-(benzylthio)thiazol-5(4H)-one is C17H13NOS2.
What is the molecular weight of 4-Benzylidene-2-(benzylthio)thiazol-5(4H)-one?
The molecular weight of 4-Benzylidene-2-(benzylthio)thiazol-5(4H)-one is 311.04 g/mol.
Where can I buy 4-Benzylidene-2-(benzylthio)thiazol-5(4H)-one?
You can request a quote for 4-Benzylidene-2-(benzylthio)thiazol-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzylidene-2-(benzylthio)thiazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzylidene-2-(benzylthio)thiazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.